UCSF

ZINC70286358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.59 2.55 -34.17 2 5 1 47 253.37 4
Hi High (pH 8-9.5) 0.59 1.28 -5.5 1 5 0 42 252.362 4
Lo Low (pH 4.5-6) 0.59 4.53 -99.32 3 5 2 48 254.378 4

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.